Home Nitro Compounds 56825-33-3
56825-33-3,MFCD25121758
Catalog No.:AA00EKNP
56825-33-3 | 2-(Ethanesulfonyl)-3-nitropyridine
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250mg
98%
in stock  
$175.00
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1g
98%
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$417.00
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Technical Information
Catalog Number:
AA00EKNP
Chemical Name:
2-(Ethanesulfonyl)-3-nitropyridine
CAS Number:
56825-33-3
Molecular Formula:
C7H8N2O4S
Molecular Weight:
216.2144
MDL Number:
MFCD25121758
IUPAC Name:
2-ethylsulfonyl-3-nitropyridine
InChI:
InChI=1S/C7H8N2O4S/c1-2-14(12,13)7-6(9(10)11)4-3-5-8-7/h3-5H,2H2,1H3
InChI Key:
NXNGEWXMQZQJHX-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)c1ncccc1[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.02g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.211g/mol
Monoisotopic Mass:
216.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

Synonyms
 
2-(Ethanesulfonyl)-3-nitropyridine 
56825-33-3 
2-(Ethylsulfonyl)-3-nitropyridine 
ZINC95495691 
CS-0090640 
V6673 
C7H8N2O4S 
Literature
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